SCHEMBL10833396

SCHEMBL10833396

O=c1c2ccccc2sn1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.59
G6PD P11413 6/20 0.59
PMM2 O15305 5/20 0.55
MPI P34949 5/20 0.55
PHOSPHO1 Q8TCT1 4/20 0.55
APOBEC3G Q9HC16 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 2/20 0.55
HPGD P15428 2/20 0.55
ALOX12 P18054 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSP90AA1 P07900 1/20 0.55
RAB9A P51151 2/20 0.49
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27971811 0.74 CASP3 (0.59) CASP3G6PDPMM2MPIPHOSPHO1
SCHEMBL929806 0.74 CASP3 (0.59) CASP3G6PDPMM2MPIPHOSPHO1
SCHEMBL26831734 0.74 CASP3 (0.59) CASP3G6PDPMM2MPIPHOSPHO1
SCHEMBL2371018 0.74 CASP3 (0.59) CASP3G6PDPMM2MPIPHOSPHO1
SCHEMBL18913134 0.74 CASP3 (0.59) CASP3G6PDPMM2MPIPHOSPHO1
SCHEMBL50008 0.74 CASP3 (1.00) CASP3G6PDPMM2MPIPHOSPHO1
Potassium SCHEMBL30889072 0.72 CASP3 (0.57) CASP3G6PDPMM2MPIPHOSPHO1
SCHEMBL17948304 0.72 CASP3 (0.72) CASP3FAAHMGLL
SCHEMBL11278746 0.72 CASP3 (0.74) CASP3G6PDFAAHMGLL
SCHEMBL25763324 0.72 MPI (0.89) CASP3G6PDPMM2MPIPHOSPHO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365331-B Process for producing plastic bottle ADEKA CORP 2014-07-09 CN disclosed
US-4599427-A FUNGICIDES BACTERICIDES SLIMICIDES ALGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0106243-B1 AZOLYL-METHYL AMINES, THEIR PREPARATION AND THEIR USE IN MICROBICIDE COMPOSITIONS BAYER AG (DE) 1986-05-28 EP disclosed
EP-0106243-A1 Azolyl-methyl amines, their preparation and their use in microbicide compositions BAYER AG (DE) 1984-04-25 EP disclosed